1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one

C24H28F3N5O2 — CID 86767232

IUPAC1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC1=CC2=NC(=O)c3cnn(CC4CC4)c3C2=CC1C(=O)N1CCN(CCC(F)(F)F)[C@@H](C)C1
InChIInChI=1S/C24H28F3N5O2/c1-14-9-20-18(21-19(22(33)29-20)11-28-32(21)13-16-3-4-16)10-17(14)23(34)31-8-7-30(15(2)12-31)6-5-24(25,26)27/h9-11,15-17H,3-8,12-13H2,1-2H3/t15-,17?/m0/s1
InChIKeyQCNMGCZCWYQGTP-MYJWUSKBSA-N
MW475.52 g/mol
LogP3.33
Rot. Bonds5

About 1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one

1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 86767232) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID86767232
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC Name1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC1=CC2=NC(=O)c3cnn(CC4CC4)c3C2=CC1C(=O)N1CCN(CCC(F)(F)F)[C@@H](C)C1
InChIInChI=1S/C24H28F3N5O2/c1-14-9-20-18(21-19(22(33)29-20)11-28-32(21)13-16-3-4-16)10-17(14)23(34)31-8-7-30(15(2)12-31)6-5-24(25,26)27/h9-11,15-17H,3-8,12-13H2,1-2H3/t15-,17?/m0/s1
InChIKeyQCNMGCZCWYQGTP-MYJWUSKBSA-N
XLogP3.33
TPSA70.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 76468622
CID 76468622
CID 77179965
CID 77179965
CID 77386587
CID 77386587
CID 86767186
CID 86767186
CID 86767187
CID 86767187
CID 86767194
CID 86767194
CID 86767195
CID 86767195
CID 86767199
CID 86767199
CID 86767201
CID 86767201
CID 86767202
CID 86767202
CID 86767204
CID 86767204
CID 86767205
CID 86767205

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one (CID 86767232) is 1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one is CC1=CC2=NC(=O)c3cnn(CC4CC4)c3C2=CC1C(=O)N1CCN(CCC(F)(F)F)[C@@H](C)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is QCNMGCZCWYQGTP-MYJWUSKBSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-14-9-20-18(21-19(22(33)29-20)11-28-32(21)13-16-3-4-16)10-17(14)23(34)31-8-7-30(15(2)12-31)6-5-24(25,26)27/h9-11,15-17H,3-8,12-13H2,1-2H3/t15-,17?/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 475.52 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-methyl-8-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 86767232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).